2,4-Hexadiynylene dibenzoate
TL;DR: 2,4-Hexadiynylene dibenzoate (CAS 251346-58-4) is a chemical compound with molecular formula C20H14O4 and molecular weight 318.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzoyloxyhexa-2,4-diynyl benzoate
Also Known As: 2,4-Hexadiynylene dibenzoate, 2,6-diol, dibenzoate, bis(benzoyloxy-methyl)diacetylene, 2,4-Hexadiyne-1,6-diol, dibenzoate, Hexa-2,4-diin-1,6-diol-dibenzoat
| Molecular Formula | C20H14O4 |
|---|---|
| Molecular Weight | 318.09 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 318.0892 |
| Heavy Atoms | 24 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 251346-58-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCC#CC#CCOC(=O)C2=CC=CC=C2 |
| InChIKey | JCZJRGIBGWSWTP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Hexadiynylene dibenzoate (CAS 251346-58-4), with molecular formula C20H14O4 and molecular weight 318.09 g/mol. IUPAC: 6-benzoyloxyhexa-2,4-diynyl benzoate.
Chemical Property Profile of 2,4-Hexadiynylene dibenzoate
Property Insights of 2,4-Hexadiynylene dibenzoate
The XLogP value of 3.8 indicates that 2,4-Hexadiynylene dibenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2,4-Hexadiynylene dibenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Hexadiynylene dibenzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4-Hexadiynylene dibenzoate?
The CAS number of 2,4-Hexadiynylene dibenzoate is 251346-58-4.
What is the molecular formula of 2,4-Hexadiynylene dibenzoate?
The molecular formula of 2,4-Hexadiynylene dibenzoate is C20H14O4.
What is the molecular weight of 2,4-Hexadiynylene dibenzoate?
The molecular weight of 2,4-Hexadiynylene dibenzoate is 318.09 g/mol.
Where can I buy 2,4-Hexadiynylene dibenzoate?
You can request a quote for 2,4-Hexadiynylene dibenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Hexadiynylene dibenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Hexadiynylene dibenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.